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2-{[1-(5-Methyl-2-phenyl-1H-imidazol-4-yl)ethylidene]hydrazono}-5-((1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)methylene)thiazolidin-4-one
SpectraBase Compound ID BDf77zm9jMh
InChI InChI=1S/C29H23N7OS2/c1-18-25(31-27(30-18)20-10-5-3-6-11-20)19(2)33-34-29-32-28(37)24(39-29)16-21-17-36(22-12-7-4-8-13-22)35-26(21)23-14-9-15-38-23/h3-17H,1-2H3,(H,30,31)(H,32,34,37)/b24-16-,33-19+
InChIKey RCFSOXCGLMZNDB-SVHDCRPRSA-N
Mol Weight 549.67 g/mol
Molecular Formula C29H23N7OS2
Exact Mass 549.140551 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJ6iG7hWypG
Name 2-{[1-(5-Methyl-2-phenyl-1H-imidazol-4-yl)ethylidene]hydrazono}-5-((1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)methylene)thiazolidin-4-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H23N7OS2
InChI InChI=1S/C29H23N7OS2/c1-18-25(31-27(30-18)20-10-5-3-6-11-20)19(2)33-34-29-32-28(37)24(39-29)16-21-17-36(22-12-7-4-8-13-22)35-26(21)23-14-9-15-38-23/h3-17H,1-2H3,(H,30,31)(H,32,34,37)/b24-16-,33-19+
InChIKey RCFSOXCGLMZNDB-SVHDCRPRSA-N
Molecular Weight 549.671 g/mol
SMILES N1\C(=N/N=C/(c2c([nH]c(n2)-c2ccccc2)C)C)S\C(=C/c2c(n[n](c2)-c2ccccc2)-c2sccc2)C1=O
SPLASH splash10-0a4i-9000040000-4cca0daf5349d55f92bf
Source of Spectrum F2-46-1510-10b
Wiley ID 1689527